(2-azanyl-6-chloranyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-6-chloranyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-6-chloro-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-6-chloro-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-6-chloro-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-6-chloro-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C8H8ClN2O4PS MolecularWeight: 294.651881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)Cl

Isomeric SMILES

C1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)Cl

InChI

InChI=1S/C8H8ClN2O4PS/c9-4-1-5(15-3-16(12,13)14)7-6(2-4)17-8(10)11-7/h1-2H,3H2,(H2,10,11)(H2,12,13,14)